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Acetamide, 2-(5-amino-2-phenyl-2H-[1,2,4]triazol-3-ylsulfanyl)-N-methyl-N-phenyl-
SpectraBase Compound ID D3xOteICvCd
InChI InChI=1S/C17H17N5OS/c1-21(13-8-4-2-5-9-13)15(23)12-24-17-19-16(18)20-22(17)14-10-6-3-7-11-14/h2-11H,12H2,1H3,(H2,18,20)
InChIKey PLAZEIXTUPQVGE-UHFFFAOYSA-N
Mol Weight 339.42 g/mol
Molecular Formula C17H17N5OS
Exact Mass 339.115381 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ZC0NTwkub6
Name Acetamide, 2-(5-amino-2-phenyl-2H-[1,2,4]triazol-3-ylsulfanyl)-N-methyl-N-phenyl-
Comments Computed using HOSE algorithm
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Exact Mass 339.115381360 u
Formula C17H17N5OS
InChI InChI=1S/C17H17N5OS/c1-21(13-8-4-2-5-9-13)15(23)12-24-17-19-16(18)20-22(17)14-10-6-3-7-11-14/h2-11H,12H2,1H3,(H2,18,20)
InChIKey PLAZEIXTUPQVGE-UHFFFAOYSA-N
Molecular Weight 339.417 g/mol
SMILES CN(C(=O)CSC=1N(C2=CC=CC=C2)N=C(N1)N)C1=CC=CC=C1